SCHEMBL1710418

SCHEMBL1710418

CCCCSc1cccc(CCCN)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 1/20 0.45
HTR6 P50406 2/20 0.45
HTR2C P28335 1/20 0.45
KIF11 P52732 1/20 0.40
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR8 Q9NR97 1/20 0.38
AR P10275 2/20 0.38
ACHE P22303 1/20 0.37
NOS1 P29475 1/20 0.37
CYP2A6 P11509 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1710819 0.87 MAOA (0.46) MAOAMAOBHTR6HTR2CKIF11
SCHEMBL1710556 0.84 HTR6 (0.56) MAOAMAOBHTR6HTR2CHTR2A
SCHEMBL1710711 0.82 HTR6 (0.41) MAOAHTR6HTR2CTAAR1NOS1
SCHEMBL1710709 0.82 HTR6 (0.43) MAOAHTR6HTR2CTAAR1NOS1
SCHEMBL1722215 0.81 HTR6 (0.42) MAOAHTR6HTR2CKIF11LPL
SCHEMBL7472343 0.80 LPL (0.42) MAOAMAOBHTR6HTR2CLPL
SCHEMBL10351524 0.79 LPL (0.49) MAOAHTR6LPLLIPGHTR2A
SCHEMBL15700493 0.79 HTR2C (0.38) MAOAMAOBHTR6HTR2CKIF11
SCHEMBL1710292 0.79 HTR6 (0.43) MAOAHTR6HTR2CLPLLIPG
SCHEMBL612312 0.78 HTR2A (0.57) MAOALPLLIPGHTR2ATLR8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 MAOA 3658/4885MAOB 2402/4885HTR6 1538/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.